From chemistry-request ^%at%^ ccl.net Fri May 6 11:36:16 2005 Received: from europa.telenet-ops.be (europa.telenet-ops.be [195.130.132.60]) by server.ccl.net (8.13.1/8.13.1) with ESMTP id j46FaBQ1010153 for ; Fri, 6 May 2005 11:36:12 -0400 Received: from localhost (localhost.localdomain [127.0.0.1]) by europa.telenet-ops.be (Postfix) with SMTP id F3D4E1982EB for ; Fri, 6 May 2005 16:36:45 +0200 (MEST) Received: from splashing.agr.kuleuven.ac.be (d54C3D2E3.access.telenet.be [84.195.210.227]) by europa.telenet-ops.be (Postfix) with ESMTP id B256A198363 for ; Fri, 6 May 2005 16:36:45 +0200 (MEST) Message-Id: <6.1.2.0.2.20050506163222.02443960 _(a)_ mail.ulyssis.org> X-Sender: u0043641 _(a)_ u0043641.kuleuven.be (Unverified) X-Mailer: QUALCOMM Windows Eudora Version 6.1.2.0 Date: Fri, 06 May 2005 16:36:39 +0200 To: chemistry _(a)_ ccl.net From: eric breynaert Subject: How to get bond stretching and bending force constants from gaussian freq calculation Mime-Version: 1.0 Content-Type: multipart/alternative; boundary="=====================_23078194==.ALT" X-Spam-Status: No, score=0.1 required=5.0 tests=FORGED_RCVD_HELO,HTML_30_40, HTML_MESSAGE autolearn=no version=3.0.3 X-Spam-Checker-Version: SpamAssassin 3.0.3 (2005-04-27) on server.ccl.net --=====================_23078194==.ALT Content-Type: text/plain; charset="iso-8859-1"; format=flowed Content-Transfer-Encoding: quoted-printable Dear all, Is it possible to get bond stretching and bending force constants from a=20 gaussian freq calculation? Thanks, Eric --------- * Eric Breynaert * Labo voor Collo=EFdchemie * Departement Interfasechemie * K.U.Leuven * Kasteelpark Arenberg 23 * B-3001 Leuven * BELGIUM * * Tel: +3216321457 * Fax: +3216321998 --------- =20 --=====================_23078194==.ALT Content-Type: text/html; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable Dear all,

Is it possible to get bond stretching and bending force constants from a gaussian freq calculation?

Thanks,

Eric

--------- * Eric Breynaert * Labo voor Collo=EFdchemie * Departement Interfasechemie * K.U.Leuven * Kasteelpark Arenberg 23 * B-3001 Leuven * BELGIUM * * Tel: +3216321457 * Fax: +3216321998 --------- --=====================_23078194==.ALT--